1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(4-ethoxyphenyl)sulfonyl-piperazine CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(4-ethoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-ethoxyphenyl)sulfonylpiperazine Traditional Name: 1-(coumaran-5-ylmethyl)-4-p-phenetylsulfonyl-piperazine Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H26N2O4S/c1-2-26-19-4-6-20(7-5-19)28(24,25)23-12-10-22(11-13-23)16-17-3-8-21-18(15-17)9-14-27-21/h3-8,15H,2,9-14,16H2,1H3